2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole

C8H6F3N3S — CID 91186241

IUPAC2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ccn(Cc2nccs2)n1
InChIInChI=1S/C8H6F3N3S/c9-8(10,11)6-1-3-14(13-6)5-7-12-2-4-15-7/h1-4H,5H2
InChIKeySBSVYNXWEJIQJY-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.41
Rot. Bonds2

About 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole

2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole (PubChem CID 91186241) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole
PubChem CID91186241
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ccn(Cc2nccs2)n1
InChIInChI=1S/C8H6F3N3S/c9-8(10,11)6-1-3-14(13-6)5-7-12-2-4-15-7/h1-4H,5H2
InChIKeySBSVYNXWEJIQJY-UHFFFAOYSA-N
XLogP2.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole (CID 91186241) is 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole is FC(F)(F)c1ccn(Cc2nccs2)n1.
What is the InChIKey of 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is SBSVYNXWEJIQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c9-8(10,11)6-1-3-14(13-6)5-7-12-2-4-15-7/h1-4H,5H2.
What are the key properties of 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole?
2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 233.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 91186241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).